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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a software tool which can compute a plethora of functions and histograms from molecular dynamics and Monte Carlo simulation trajectories. I am the main developer of the TRAVIS program package.

Please visit the TRAVIS website:  www.travis-analyzer.de

In April 2020, our new open access article on TRAVIS has been published. It describes many of the new features and algorithms which have been added to TRAVIS within the last nine years. Please have a look:

M. Brehm, M. Thomas, S. Gehrke, B. Kirchner: “TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation”, J. Chem. Phys. 2020, 152 (16), 164105.

Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018).


— Work Citing TRAVIS —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 431 such publications, written by 957 different authors.
407 out of these (94.43 %) actually used TRAVIS for results in the manuscript.

Only showing results in journal “ChemPhysChem”. Show all citations.

Go to Author List, go to Journal List.

12 citations match the query.  Show continuous list view.

— 2020 —

12 O. Hollóczki, S. Gehrke:
"Can Nanoplastics Alter Cell Membranes?"
ChemPhysChem 2020, 21 (1), 9–12.     (DOI 10.1002/cphc.201900481 ) ⭳ Bib
Uses TRAVIS for RDF, Voro, Domain.

— 2019 —

11 V. Alizadeh, D. Geller, F. Malberg, P. B. Sánchez, A. A. H. Pádua, B. Kirchner:
"Strong Microheterogeneity in Novel Deep Eutectic Solvents"
ChemPhysChem 2019, 20 (14), 1786–1792.     (DOI 10.1002/cphc.201900307 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, Domain.
10 B. Milovanović, I. M. Stanković, M. Petković, M. Etinski:
"Elucidating Solvent Effects on Strong Intramolecular Hydrogen Bond: DFT‐MD Study of Dibenzoylmethane in Methanol Solution"
ChemPhysChem 2019, 20 (21), 2852–2859.     (DOI 10.1002/cphc.201900704 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2018 —

9 L. Gontrani, F. Trequattrini, O. Palumbo, L. Bencivenni, A. Paolone:
"New Experimental Evidences Regarding Conformational Equilibrium in Ammonium−bis(trifluoromethanesulfonyl)imide Ionic Liquids"
ChemPhysChem 2018, 19 (20), 2776–2781.     (DOI 10.1002/cphc.201800442 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
8 S. T. Keaveney, J. B. Harper, A. K. Croft:
"Ion-Reagent Interactions Contributing to Ionic Liquid Solvent Effects on a Condensation Reaction"
ChemPhysChem 2018, 19 (23), 3279–3287.     (DOI 10.1002/cphc.201800695 ) ⭳ Bib
Uses TRAVIS for RDF, SDF.

— 2016 —

7 A. Mariani, P. Ballirano, F. Angiolari, R. Caminiti, L. Gontrani:
"Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer"
ChemPhysChem 2016, 17 (19), 3023–3029.     (DOI 10.1002/cphc.201600268 ) ⭳ Bib
Uses TRAVIS for CDF.
6 S. Zahn, B. Kirchner, D. Mollenhauer:
"Charge Spreading in Deep Eutectic Solvents"
ChemPhysChem 2016, 17 (21), 3354–3358.     (DOI 10.1002/cphc.201600348 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2015 —

5 O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner:
"Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures"
ChemPhysChem 2015, 16 (15), 3325–3333.     (DOI 10.1002/cphc.201500473 ) ⭳ Bib
Uses TRAVIS for RDF, SFac.
4 M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner:
"Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids"
ChemPhysChem 2015, 16 (15), 3271–3277.     (DOI 10.1002/cphc.201500471 ) ⭳ Bib
Uses TRAVIS for RDF, Domain.

— 2013 —

3 O. Hollóczki, Z. Kelemen, L. Könczöl, D. Szieberth, L. Nyulászi, A. Stark, B. Kirchner:
"Significant Cation Effects in Carbon Dioxide-Ionic Liquid Systems"
ChemPhysChem 2013, 14 (2), 315–320.     (DOI 10.1002/cphc.201200970 ) ⭳ Bib
Uses TRAVIS for RDF, CDF.

— 2012 —

2 S. N. Butler, F. Müller-Plathe:
"A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure-Property Relationships"
ChemPhysChem 2012, 13 (7), 1791–1801.     (DOI 10.1002/cphc.201200039 ) ⭳ Bib
Uses TRAVIS for SDF.
1 A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner:
"Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate"
ChemPhysChem 2012, 13 (7), 1845–1853.     (DOI 10.1002/cphc.201100917 ) ⭳ Bib
Uses TRAVIS for CDF, Aggr, MSD, Power.


— Author List —

Go to Article List, go to Journal List.

42 different authors contributed to the 12 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
6(show)Kirchner, B.
4(show)Hollóczki, O.
3(show)Brehm, M.
2(show)Gontrani, L.
2(show)Stark, A.
2(show)Thomas, M.
2(show)Weber, H.
1(show)Alizadeh, V.
1(show)Angiolari, F.
1(show)Ballirano, P.
1(show)Bencivenni, L.
1(show)Butler, S. N.
1(show)Caminiti, R.
1(show)Croft, A. K.
1(show)Etinski, M.
1(show)Gehrke, S.
1(show)Geller, D.
1(show)Harper, J. B.
1(show)Keaveney, S. T.
1(show)Kelemen, Z.
1(show)Könczöl, L.
1(show)Macchiagodena, M.
1(show)Malberg, F.
1(show)Mariani, A.
1(show)Milovanović, B.
1(show)Mollenhauer, D.
1(show)Müller-Plathe, F.
1(show)Nyulászi, L.
1(show)Pádua, A. A. H.
1(show)Palumbo, O.
1(show)Paolone, A.
1(show)Pensado, A. S.
1(show)Petković, M.
1(show)Russina, O.
1(show)Sánchez, P. B.
1(show)Seitsonen, A. P.
1(show)Stanković, I. M.
1(show)Szieberth, D.
1(show)Thar, J.
1(show)Trequattrini, F.
1(show)Triolo, A.
1(show)Zahn, S.

— Journal List —

Go to Article List, go to Author List.

The 12 articles shown above were published in 1 different journals.

CitationsJournal Name
12(show)ChemPhysChem

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TRAVIS ORCA MD Spectroscopy bqb Format